Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-110602
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ce', 'Al', 'Ni']
  • Chemical System: Al-Ce-Ni
  • Density: 7.714508639358333
  • Atomic Density: 0.0693623191230187
  • Unit Cell Volume: 86.50229801801464
  • Molar Volume: 8.682150245465888
  • Full Formula: Ce1 Al1 Ni4
  • Reduced Formula: CeAlNi4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm